6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine

C15H17N3S — CID 5051015

IUPAC6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine
SMILESCC1=NN2C(c3ccccc3)=CSC2=NC(C)(C)C1
InChIInChI=1S/C15H17N3S/c1-11-9-15(2,3)16-14-18(17-11)13(10-19-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyLDNDAZFXNNWPFM-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.95
Rot. Bonds1

About 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine

6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine (PubChem CID 5051015) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine.

Molecular Properties

Compound Name6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine
PubChem CID5051015
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine
SMILESCC1=NN2C(c3ccccc3)=CSC2=NC(C)(C)C1
InChIInChI=1S/C15H17N3S/c1-11-9-15(2,3)16-14-18(17-11)13(10-19-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyLDNDAZFXNNWPFM-UHFFFAOYSA-N
XLogP3.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
The IUPAC name of 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine (CID 5051015) is 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine.
What is the SMILES notation for 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
The canonical SMILES for 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine is CC1=NN2C(c3ccccc3)=CSC2=NC(C)(C)C1.
What is the InChIKey of 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
The InChIKey is LDNDAZFXNNWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-9-15(2,3)16-14-18(17-11)13(10-19-14)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine has a molecular weight of 271.39 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-3-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazepine is sourced from PubChem (CID 5051015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).